spacer

Reactions Similar in Bond Changes to M0115

Please note, this page may take a while to load. This displays the reactions with similar (as calculated by a Tanimoto similarity) to the reaction M0115 at the level of the bond changes defined. The fingerprint from which the Tanimoto similarity score is calculated is continuous (i.e. it takes into account the number of different bond changes as well as the identity of the bond changes).


Reactive Centre (Manual (Composite) Annotation) of Target Reaction

Bonds Formed Bonds Cleaved Bonds Changed in Order Atom Types Involved
C=O
N-H
N-H
O-H
O-H
O-H
C-H
C=N
N-H
O-H
O-H
O-H
O-H
The C-C bond changes from a single to double bond
The C-C bond changes from a single to double bond
The C-C bond changes from a single to double bond
The C-N bond changes from a single to double bond
The C-N bond changes from a single to double bond
The C-N bond changes from a single to double bond
The C-C bond changes from a double to single bond
The C-C bond changes from a double to single bond
The C-N bond changes from a double to single bond
The C-N bond changes from a double to single bond
The C-O bond changes from a double to single bond
The C-O bond changes from a double to single bond
C
H
N
O

Key

1.0-0.9 0.9-0.8 0.8-0.7 0.7-0.6 0.6-0.5 0.5-0.4 0.4-0.3 0.3-0.2 0.2-0.1 0.1-0.0 =0

Results

Reactions identical to M0115

There are 0 identical reactions with respect to the bond changes.

Reactions similar to M0115

There are 27 similar (Tanimoto Score ≥ 0.65) reactions.

Overall Reaction Similarity Composite Reaction Similarity Catalytic Machinary Similarity Total Similarity
M0353
00Compare
M0256
1.1.1.1
0.270.33840.23820.3067Compare
M0093
1.1.1.34
0.360.58920.6750.5880Compare
M0103
1.1.3.38
0.460.53780.24330.4565Compare
M0119
1.2.7.1
00.60.15720.4293Compare
M0109
1.3.3.1
0.600.763600.5570Compare
M0020
1.3.99.1
0.040.6190.19270.4545Compare
M0068
1.3.99.10
0.180.54380.180.4166Compare
M0110
1.4.3.3
0.540.74240.02570.5435Compare
M0112
1.5.1.3
0.200.4210.180.3394Compare
M0120
1.5.1.20
0.250.64890.70750.6236Compare
M0237
1.5.1.33
0.250.59210.19860.4601Compare
M0113
1.5.3.1
0.540.50460.09990.4075Compare
M0114
1.5.8.2
0.380.660.180.5120Compare
M0117
1.6.2.4
0.190.61360.21230.4709Compare
M0003
1.6.5.2
0.620.81920.180.6404Compare
M0139
1.17.1.4
0.40.40960.29990.3812Compare
M0289
2.2.1.6
0.080.650.14990.4686Compare
M0162
3.1.25.1
0.580.5520.11250.4452Compare
M0090
3.3.1.1
0.080.59740.33950.4818Compare
M0181
3.11.1.1
0.080.55420.25710.4331Compare
M0226
3.13.1.1
0.180.61110.12850.4475Compare
M0220
4.1.1.7
0.080.58820.39990.4909Compare
M0252
4.1.1.48
0.290.53030.16360.4147Compare
M0221
4.1.2.38
0.080.63330.360.5103Compare
M0055
4.2.1.10
0.230.54310.13900.4115Compare
M0185
4.2.99.18
0.450.56750.25170.4768Compare

OVERVIEW OF ALL RESULTS

spacer
spacer